SCHEMBL19229259

SCHEMBL19229259

COc1c(Cl)cc2c(c1Cl)C(=O)NCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.40
▸ DRD2 P14416 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPKAPK2 P49137 3/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ LRRK2 Q5S007 3/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14854352 0.78 DYRK1A (0.43) DRD1CYP1A2CYP2C19TUBB4ATUBB
SCHEMBL15813994 0.75 HTR2C (0.47) KDRMAPKAPK2CDK1LRRK2TUBB4A
SCHEMBL30401909 0.74 PARP1 (0.41) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL23978726 0.74 PARP1 (0.41) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL15813926 0.72 INSR (0.44) KDRMAPKAPK2KDM4EF7PARP1
SCHEMBL30046575 0.70 PARP10 (0.35) KDRCDK1KDM4EALDH1A1PARP1
SCHEMBL24136647 0.70 PARP10 (0.35) KDRCDK1KDM4EALDH1A1PARP1
SCHEMBL15814278 0.69 NCOA1 (0.43) KDRCDK1LRRK2KDM4EALDH1A1
SCHEMBL27183613 0.68 PARP10 (0.39) KDRKDM4EALDH1A1F7PARP1
SCHEMBL30888664 0.68 TUBB4A (0.38) DRD2DRD1DRD5DRD3CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246433-B2 Aryl and heteroaryl fused lactams PFIZER INC. (US) 2019-04-02 — — US disclosed
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2017-08-17 — — US disclosed
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS PFIZER INC. (US) 2017-08-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170233368-A1 ARYL AND HETEROARYL FUSED LACTAMS CCNY, MLX, NFXL1 KDR 776/4885DRD2 3581/4885DRD1 3339/4885
US-10246433-B2 Aryl and heteroaryl fused lactams CCNY, MLX, NFXL1 KDR 776/4885DRD2 3581/4885DRD1 3339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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